Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin

Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin Descriptor: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. Deposit date: 2021-02-05 Release date: 2021-03-03 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021

SARS-CoV-2主蛋白酶（SARS-CoV-2 Main Protease）与亮抑酶肽（Leupeptin）形成的半缩醛复合物结构 结构描述：3C样蛋白酶（3C-like proteinase）、氯离子（CHLORIDE ION）、二甲基亚砜（DIMETHYL SULFOXIDE）等。作者：Guenther S、Reinke P.Y.A、Oberthuer D、Yefanov O、Gelisio L、Ginn H.M、Lieske J、Domaracky M、Brehm W、Rahmani Mashhour A、White T.A、Knoska J、Pena Esperanza G、Koua F、Tolstikova A、Groessler M、Fischer P、Hennicke V、Fleckenstein H、Trost F、Galchenkova M、Gevorkov Y、Li C、Awel S、Xavier P.L、Ullah N、Andaleeb H、Falke S、Alves Franca B、Schwinzer M、Brognaro H、Werner N、Perbandt M、Tidow H、Seychell B、Beck T、Meier S、Zaitsev-Doyle J.J、Rogers C、Gieseler H、Melo D、Monteiro D.C.F、Dunkel I、Lane T.J、Peck A、Saouane S、Hakanpaeae J、Meyer J、Noei H、Gribbon P、Ellinger B、Kuzikov M、Wolf M、Zhang L、Ehrt C、Pletzer-Zelgert J、Wollenhaupt J、Feiler C、Weiss M、Schluenzen F、Schulz E.C、Mehrabi P、Norton-Baker B、Schmidt C、Lorenzen K、Schubert R、Sun X、Han H、Chari A、Fernandez Garcia Y、Turk D、Hilgenfeld R、Rarey M、Zaliani A、Chapman H.N、Pearson A、Betzel C、Meents A。沉积日期：2021-02-05；发布日期：2021-03-03；最后修改日期：2024-11-13。测试方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.7埃。引用文献：X射线筛选鉴定SARS-CoV-2主蛋白酶的活性位点与变构抑制剂，《Science》，2021年，第372卷。